UCSF

ZINC11596616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.24 -0.7 -39.12 3 1 1 28 164.272 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0906315A1; EP0911039A2; EP0912579A1; EP0929554A1; EP0977572A1; EP0989987A1; EP0991622A1; EP1021204A2; EP1028957A1; EP1049807A1; US5411965; US5656286; US5980882; US5985874; US6024976; US6046195; US6071927; US6071928; US6136824; WO1997049710A1; WO19980014 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )